Cas no 62381-37-7 (2,6-Octadienedioic acid, 2,7-dimethyl-, diethyl ester, (E,E)-)
62381-37-7 structure
Product Name:2,6-Octadienedioic acid, 2,7-dimethyl-, diethyl ester, (E,E)-
CAS No:62381-37-7
MF:C14H22O4
MW:254.322084903717
CID:446985
PubChem ID:71386985
Update Time:2025-04-19
2,6-Octadienedioic acid, 2,7-dimethyl-, diethyl ester, (E,E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Octadienedioic acid, 2,7-dimethyl-, diethyl ester, (E,E)-
- diethyl 2,7-dimethylocta-2,6-dienedioate
- 62381-37-7
- DTXSID50809126
-
- Inchi： 1S/C14H22O4/c1-5-17-13(15)11(3)9-7-8-10-12(4)14(16)18-6-2/h9-10H,5-8H2,1-4H3
- InChI Key： SUHQOONQTHSZKR-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C)=CCCC=C(C(=O)OCC)C)=O
Computed Properties
- Exact Mass: 254.15186
- Monoisotopic Mass: 254.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
2,6-Octadienedioic acid, 2,7-dimethyl-, diethyl ester, (E,E)- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
62381-37-7 (2,6-Octadienedioic acid, 2,7-dimethyl-, diethyl ester, (E,E)-) Related Products
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